4-bromanyl-3-(bromomethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(bromomethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-bromo-3-(bromomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-bromo-3-(bromomethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-bromo-3-(bromomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-bromo-3-(bromomethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14Br2N2O4S MolecularWeight: 490.16636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(=C(C(S3)Br)CBr)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(=C(C(S3)Br)CBr)C(=O)O

InChI

InChI=1S/C16H14Br2N2O4S/c17-7-9-12(16(23)24)20-14(22)11(15(20)25-13(9)18)19-10(21)6-8-4-2-1-3-5-8/h1-5,11,13,15H,6-7H2,(H,19,21)(H,23,24)